N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

C20H17FN4O2 — CID 17421166

IUPACN'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1F
InChIInChI=1S/C20H17FN4O2/c21-16-11-5-4-9-14(16)19(26)22-23-20(27)18-15-10-6-12-17(15)25(24-18)13-7-2-1-3-8-13/h1-5,7-9,11H,6,10,12H2,(H,22,26)(H,23,27)
InChIKeyFOJZPHUHWYDBNI-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.57
Rot. Bonds3

About N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (PubChem CID 17421166) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
PubChem CID17421166
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1F
InChIInChI=1S/C20H17FN4O2/c21-16-11-5-4-9-14(16)19(26)22-23-20(27)18-15-10-6-12-17(15)25(24-18)13-7-2-1-3-8-13/h1-5,7-9,11H,6,10,12H2,(H,22,26)(H,23,27)
InChIKeyFOJZPHUHWYDBNI-UHFFFAOYSA-N
XLogP2.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46680465
1-(2-fluorophenyl)-N'-(2-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46452967
1-(4-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55975088
1-phenyl-N'-(pyrazine-2-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 24618570
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 39479957
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197
N'-[2-(2-fluorophenoxy)propanoyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46689744
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
1-phenyl-N'-pyrimidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 51119740

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (CID 17421166) is N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1F.
What is the InChIKey of N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The InChIKey is FOJZPHUHWYDBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-16-11-5-4-9-14(16)19(26)22-23-20(27)18-15-10-6-12-17(15)25(24-18)13-7-2-1-3-8-13/h1-5,7-9,11H,6,10,12H2,(H,22,26)(H,23,27).
What are the key properties of N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide has a molecular weight of 364.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 17421166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).